Ethyl bromoacetate(105-36-2) IR1

Product NameEthyl bromoacetate

CAS 105-36-2

Molecular FormulaC4H7BrO2

Molecular Weight167

InChIInChI=1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3

InChIKey PQJJJMRNHATNKG-UHFFFAOYSA-N

SmilesC(OCC)(=O)CBr

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Ethyl bromoacetate(105-36-2) IR1
Mass

MS-IW-3417          
ethyl bromoacetate
C4H7BrO2            (Mass of molecular ion:    166)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      14.0       6.1
      15.0       6.3
      26.0       7.1
      27.0      49.8
      28.0      57.8
      29.0     100.0
      30.0       5.6
      31.0       4.6
      41.0       9.5
      42.0      40.1
      43.0      57.2
      44.0       2.5
      45.0      21.5
      59.0       1.8
      60.0      11.6
      73.0      10.3
      77.0       2.4
      79.0       3.6
      80.0       2.4
      81.0       3.4
      82.0       2.3
      87.0      18.4
      91.0       2.0
      92.0       3.8
      93.0      40.6
      94.0      19.3
      95.0      38.0
      96.0      15.3
     107.0      10.6
     109.0      10.4
     120.0       4.9
     121.0      98.7
     122.0       7.0
     123.0      96.0
     124.0       2.3
     138.0      46.2
     139.0      11.9
     140.0      45.5
     141.0      11.8
     151.0       2.7
     153.0       2.5
     166.0      29.9
     167.0       2.0
     168.0      29.2
     169.0       1.6

parameter neat

parameter in CDCl3

Ethyl bromoacetate(105-36-2) IR1

¹H NMR	300 MHz
C₄ H₇ Br O₂	neat
ethyl bromoacetate

    Parameter     ppm  Hz

      D(A)         1.267
      D(B)         4.186
       J(A,B)          7.11
     
      D(C)         3.870
     
     RATTET,L.S. & GOLDSTEIN,J.H. J.PHYS.CHEM. 73, 4400 (1969)

     Hz     ppm     Int.

   1266.52   4.222    122
   1259.42   4.198    369
   1252.30   4.174    375
   1245.20   4.151    128
   1161.01   3.870   1000
    387.19   1.291    377
    380.10   1.267    748
    373.00   1.243    367

Ethyl bromoacetate(105-36-2) IR1

¹H NMR	300 MHz
C₄ H₇ Br O₂	10.5 mol% in CDCl₃
ethyl bromoacetate

    Parameter     ppm  Hz

      D(A)         1.305
      D(B)         4.237
       J(A,B)          7.13
     
      D(C)         3.837

     Hz     ppm     Int.

   1281.86   4.273    122
   1274.71   4.249    367
   1267.59   4.225    375
   1260.47   4.202    128
   1151.10   3.837   1000
    398.60   1.329    379
    391.51   1.305    748
    384.36   1.281    367

in CDCl3